N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine

C13H17N3O — CID 61239949

IUPACN-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC(C)c2ccco2)ncn1
InChIInChI=1S/C13H17N3O/c1-3-5-11-8-13(15-9-14-11)16-10(2)12-6-4-7-17-12/h4,6-10H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyOTVUUBTZQPTGLK-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.20
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine

N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine (PubChem CID 61239949) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine
PubChem CID61239949
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC(C)c2ccco2)ncn1
InChIInChI=1S/C13H17N3O/c1-3-5-11-8-13(15-9-14-11)16-10(2)12-6-4-7-17-12/h4,6-10H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyOTVUUBTZQPTGLK-UHFFFAOYSA-N
XLogP3.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80907705
N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine
CID 61240540
4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80773789
N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
CID 63926924
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
N-octan-4-yl-6-propylpyrimidin-4-amine
CID 106026552
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185
6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
CID 66327459
6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 80936336
1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine
CID 65188516
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
N-[1-(furan-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 103932113

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine (CID 61239949) is N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine is CCCc1cc(NC(C)c2ccco2)ncn1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine?
The InChIKey is OTVUUBTZQPTGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-5-11-8-13(15-9-14-11)16-10(2)12-6-4-7-17-12/h4,6-10H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine?
N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 61239949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).